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. 2020 Oct 9;25(20):4597. doi: 10.3390/molecules25204597

Table 2.

The names, structures, targets, FBDD optimization strategy used, biophysical techniques used, and status in clinical trials of select drugs derived from the FBDD approach.

Drug (Company) Target Original Fragment(s) * Advanced Molecule and Progress in Clinical Trials Techniques Used
Vemurafenib (Plexxikon) [224,226] BRAF-V600E graphic file with name molecules-25-04597-i001.jpg Inline graphic
Approved		 high-concentration biochemical fragment screening, X-ray crystallography
Venetoclax (AbbVie, Genetech) [227,228,229,230] BCL-2 graphic file with name molecules-25-04597-i003.jpg Inline graphic
Approved		 NMR, X-ray crystallography
Ribociclib (Novartis Europharm Limited) [231] CDK4 and 6 Information Not Available Inline graphic
Approved		 Information not Available
PLX3397 (Plexxikon) [232,233,234] FMS, KIT, and FLT3-ITD graphic file with name molecules-25-04597-i006.jpg Inline graphic
Phase 3		 X-ray crystallography, Structure Confirmed by NMR, MS, and HPLC
Verubecestat (Merck) [235,236] BACE1 graphic file with name molecules-25-04597-i008.jpg Inline graphic
Phase 3		 NMR, X-ray crystallography, inhibition of cathepsin D
Onalespib (Astex) [237,238] HSP90 graphic file with name molecules-25-04597-i010.jpg Inline graphic
Phase 2		 X-ray crystallography, isothermal titration calorimetry, NMR
AZD5099 [239,240] Topoisomerase II graphic file with name molecules-25-04597-i012.jpg Inline graphic
Phase 1		 NMR, Surface Plasmon Resonance, isothermal calorimetry, X-ray cystallography
AT7519 [241,242,243,244] CDK 1, 2, 4, and 5 graphic file with name molecules-25-04597-i014.jpg Inline graphic
Phase 2		 NMR, MS, X-ray crystallography

* Structures for some of the fragments are taken directly from Dan Erlanson’s blog at [245].